2-amino-4-bromo-5-iodobenzoic acid

2-amino-4-bromo-5-iodobenzoic acid

CAS: 1823494-61-6

Formula: C7H5BrINO2

SMILES: NC1=C(C=C(I)C(Br)=C1)C(O)=O

IUPAC: 2-amino-4-bromo-5-iodobenzoic acid

InChI: InChI=1S/C7H5BrINO2/c8-4-2-6(10)3(7(11)12)1-5(4)9/h1-2H,10H2,(H,11,12)

Composition: C (24.59%), H (1.47%), Br (23.37%), I (37.11%), N (4.10%), O (9.36%)

Molar Mass: 341.93

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	340.85484
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	SGPARYHKYWFJSJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59
Topological Polar Surface Area	63.32
Polarizability	22.32
Ring Count	1
Rotatable Bond Count	1

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